N-(4-pentylphenyl)morpholine-2-carboxamide;hydrochloride

C16H25ClN2O2 — CID 119686937

IUPACN-(4-pentylphenyl)morpholine-2-carboxamide;hydrochloride
SMILESCCCCCc1ccc(NC(=O)C2CNCCO2)cc1.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-2-3-4-5-13-6-8-14(9-7-13)18-16(19)15-12-17-10-11-20-15;/h6-9,15,17H,2-5,10-12H2,1H3,(H,18,19);1H
InChIKeyUIZDGPPJUXPTAZ-UHFFFAOYSA-N
MW312.84 g/mol
LogP2.77
Rot. Bonds6

About N-(4-pentylphenyl)morpholine-2-carboxamide;hydrochloride

N-(4-pentylphenyl)morpholine-2-carboxamide;hydrochloride (PubChem CID 119686937) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is N-(4-pentylphenyl)morpholine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(4-pentylphenyl)morpholine-2-carboxamide;hydrochloride
PubChem CID119686937
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC NameN-(4-pentylphenyl)morpholine-2-carboxamide;hydrochloride
SMILESCCCCCc1ccc(NC(=O)C2CNCCO2)cc1.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-2-3-4-5-13-6-8-14(9-7-13)18-16(19)15-12-17-10-11-20-15;/h6-9,15,17H,2-5,10-12H2,1H3,(H,18,19);1H
InChIKeyUIZDGPPJUXPTAZ-UHFFFAOYSA-N
XLogP2.77
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[4-(morpholine-2-carbonylamino)phenyl]propanoic acid
CID 115340051
N-(4-methylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119670966
N-[4-(cyclopropanecarbonylamino)phenyl]morpholine-2-carboxamide;hydrochloride
CID 119700164
N-[4-(propylcarbamoyl)phenyl]morpholine-2-carboxamide
CID 119739016
N-[4-(phenylmethoxymethyl)phenyl]morpholine-2-carboxamide;hydrochloride
CID 119794532
N-(4-decylphenyl)piperidine-4-carboxamide;hydrochloride
CID 162755830
N-[4-(phenylmethoxymethyl)phenyl]morpholine-2-carboxamide
CID 119794533
N-(3-ethylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119675709
N-(3-butoxyphenyl)morpholine-2-carboxamide;hydrochloride
CID 119745760
N-[4-[3-(dimethylamino)propanoylamino]phenyl]morpholine-2-carboxamide;dihydrochloride
CID 119868290
(2R)-N-(2-butyl-3H-benzimidazol-5-yl)morpholine-2-carboxamide
CID 126779606
N-[3-(2-butoxyethoxymethyl)phenyl]morpholine-2-carboxamide;hydrochloride
CID 119754344

Frequently Asked Questions

What is the IUPAC name of N-(4-pentylphenyl)morpholine-2-carboxamide;hydrochloride?
The IUPAC name of N-(4-pentylphenyl)morpholine-2-carboxamide;hydrochloride (CID 119686937) is N-(4-pentylphenyl)morpholine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(4-pentylphenyl)morpholine-2-carboxamide;hydrochloride?
The canonical SMILES for N-(4-pentylphenyl)morpholine-2-carboxamide;hydrochloride is CCCCCc1ccc(NC(=O)C2CNCCO2)cc1.Cl.
What is the InChIKey of N-(4-pentylphenyl)morpholine-2-carboxamide;hydrochloride?
The InChIKey is UIZDGPPJUXPTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2.ClH/c1-2-3-4-5-13-6-8-14(9-7-13)18-16(19)15-12-17-10-11-20-15;/h6-9,15,17H,2-5,10-12H2,1H3,(H,18,19);1H.
What are the key properties of N-(4-pentylphenyl)morpholine-2-carboxamide;hydrochloride?
N-(4-pentylphenyl)morpholine-2-carboxamide;hydrochloride has a molecular weight of 312.84 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pentylphenyl)morpholine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119686937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).